NMR Restraints Grid

Result table
 (Save to zip file containing files for each block)

image mrblock_id pdb_id bmrb_id cing stage program type subtype subsubtype
587830 2ml7 19808 cing 2-parsed STAR distance hydrogen bond simple


data_2ml7_MR_file_constraints


save_Conversion_project
    _Study_list.Sf_category  study_list 
    _Study_list.Entry_ID     parsed_2ml7 
    _Study_list.ID           1 

    loop_
        _Study.ID 
        _Study.Name 
        _Study.Type 
        _Study.Details 
        _Study.Entry_ID 
        _Study.Study_list_ID 

        1   "Conversion project"    NMR   .   parsed_2ml7   1   
    stop_

save_


save_entry_information
    _Entry.Sf_category                  entry_information 
    _Entry.ID                           parsed_2ml7 
    _Entry.Title                       "Original constraint list(s)" 
    _Entry.Version_type                 original 
    _Entry.Submission_date              . 
    _Entry.Accession_date               . 
    _Entry.Last_release_date            . 
    _Entry.Original_release_date        . 
    _Entry.Origination                  . 
    _Entry.NMR_STAR_version             3.1 
    _Entry.Original_NMR_STAR_version    . 
    _Entry.Experimental_method          NMR 
    _Entry.Experimental_method_subtype  . 

    loop_
        _Related_entries.Database_name 
        _Related_entries.Database_accession_code 
        _Related_entries.Relationship 
        _Related_entries.Entry_ID 

        PDB   2ml7   "Master copy"    parsed_2ml7   
    stop_

save_


save_global_Org_file_characteristics
    _Constraint_stat_list.Sf_category  constraint_statistics 
    _Constraint_stat_list.Entry_ID     parsed_2ml7 
    _Constraint_stat_list.ID           1 

    loop_
        _Constraint_file.ID 
        _Constraint_file.Constraint_filename 
        _Constraint_file.Software_ID 
        _Constraint_file.Software_label 
        _Constraint_file.Software_name 
        _Constraint_file.Block_ID 
        _Constraint_file.Constraint_type 
        _Constraint_file.Constraint_subtype 
        _Constraint_file.Constraint_subsubtype 
        _Constraint_file.Constraint_number 
        _Constraint_file.Entry_ID 
        _Constraint_file.Constraint_stat_list_ID 

        1   2ml7.mr   .   .   "MR format"    1    comment                  "Not applicable"    "Not applicable"      0   parsed_2ml7   1   
        1   2ml7.mr   .   .    DYANA/DIANA   2    distance                  NOE                 simple             551   parsed_2ml7   1   
        1   2ml7.mr   .   .    DYANA/DIANA   3    distance                 "hydrogen bond"      simple               0   parsed_2ml7   1   
        1   2ml7.mr   .   .    DYANA/DIANA   4   "dihedral angle"          "Not applicable"    "Not applicable"      0   parsed_2ml7   1   
        1   2ml7.mr   .   .   "MR format"    5   "nomenclature mapping"    "Not applicable"    "Not applicable"      0   parsed_2ml7   1   
    stop_

save_


save_DYANA/DIANA_distance_constraints_3
    _Distance_constraint_list.Sf_category         distance_constraints 
    _Distance_constraint_list.Entry_ID            parsed_2ml7 
    _Distance_constraint_list.ID                  1 
    _Distance_constraint_list.Constraint_type    "hydrogen bond" 
    _Distance_constraint_list.Constraint_file_ID  1 
    _Distance_constraint_list.Block_ID            3 
    _Distance_constraint_list.Details            "Generated by Wattos" 

    loop_
        _Dist_constraint_parse_err.ID 
        _Dist_constraint_parse_err.Content 
        _Dist_constraint_parse_err.Begin_line 
        _Dist_constraint_parse_err.Begin_column 
        _Dist_constraint_parse_err.End_line 
        _Dist_constraint_parse_err.End_column 
        _Dist_constraint_parse_err.Entry_ID 
        _Dist_constraint_parse_err.Distance_constraint_list_ID 

        1   
;
assign (resid 24 and name O) (resid 8 and name N) 3.3 1.1 0.0
 assign (resid 24 and name O) (resid 8 and name H) 2.2 0.4 0.0
 assign (resid 17 and name O) (resid 19 and name N) 3.3 1.1 0.0
 assign (resid 17 and name O) (resid 19 and name H) 2.2 0.4 0.0
 assign (resid 27 and name O) (resid 20 and name N) 3.3 1.1 0.0
 assign (resid 27 and name O) (resid 20 and name H) 2.2 0.4 0.0 
 assign (resid 6 and name O) (resid 26 and name N) 3.3 1.1 0.0
 assign (resid 26 and name O) (resid 5 and name N) 3.3 1.1 0.0
 assign (resid 26 and name O) (resid 5 and name H) 2.2 0.4 0.0
 assign (resid 20 and name O) (resid 27 and name N) 3.3 1.1 0.0
 assign (resid 20 and name O) (resid 27 and name H) 2.2 0.4 0.0
 assign (resid 8 and name O) (resid 10 and name N) 3.3 1.1 0.0
 assign (resid 8 and name O) (resid 10 and name H) 2.2 0.4 0.0
 assign (resid 21 and name O) (resid 24 and name N) 3.3 1.1 0.0
 assign (resid 21 and name O) (resid 24 and name H) 2.2 0.4 0.0
  assign (resid 11 and name O) (resid 14 and name N) 3.3 1.1 0.0
 assign (resid 11 and name O) (resid 14 and name H) 2.2 0.4 0.0
 assign (resid 12 and name O) (resid 21 and name N) 3.3 1.1 0.0
 assign (resid 12 and name O) (resid 21 and name H) 2.2 0.4 0.0

;
   1   2   20   63   parsed_2ml7   1   
    stop_

save_





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